8FY2

E3:PROTAC:target ternary complex structure (VCB/WH244/BCL-2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	108
Detector technology	CCD
Collection date	2022-07-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	47.278, 102.604, 167.362
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.680 - 2.980
R-factor	0.2344
Rwork	0.229
R-free	0.27860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.520
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	167.500	3.140
High resolution limit [Å]	2.980	2.980
Rmerge	0.199	2.210
Number of reflections	17444	2476
<I/σ(I)>	11.5
Completeness [%]	100.0
Redundancy	8.2
CC(1/2)	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.1 M Tris-Cl pH 8.7, 18% PEG 8000, 0.2 M MgCl2 and 3% 1,6-Hexanediol